1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine

C16H31N3 — CID 18547187

IUPAC1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H31N3/c1-5-15(14(2)18-10-6-7-11-18)16(3,4)19-12-8-17-9-13-19/h5,14,17H,6-13H2,1-4H3/b15-5+
InChIKeyKKCPGSRUFABSAY-PJQLUOCWSA-N
MW265.44 g/mol
LogP2.10
Rot. Bonds4

About 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine

1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine (PubChem CID 18547187) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
PubChem CID18547187
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H31N3/c1-5-15(14(2)18-10-6-7-11-18)16(3,4)19-12-8-17-9-13-19/h5,14,17H,6-13H2,1-4H3/b15-5+
InChIKeyKKCPGSRUFABSAY-PJQLUOCWSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine (CID 18547187) is 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine is C/C=C(\C(C)N1CCCC1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
The InChIKey is KKCPGSRUFABSAY-PJQLUOCWSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-15(14(2)18-10-6-7-11-18)16(3,4)19-12-8-17-9-13-19/h5,14,17H,6-13H2,1-4H3/b15-5+.
What are the key properties of 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine is sourced from PubChem (CID 18547187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).